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102169-44-8 | 1,2-Benzenediamine, 4-bromo-5-methyl-
CAS No: 102169-44-8 Catalog No: AG0006SN MDL No:MFCD16987757
Product Description
Catalog Number:
AG0006SN
Chemical Name:
1,2-Benzenediamine, 4-bromo-5-methyl-
CAS Number:
102169-44-8
Molecular Formula:
C7H9BrN2
Molecular Weight:
201.0638
MDL Number:
MFCD16987757
IUPAC Name:
4-bromo-5-methylbenzene-1,2-diamine
InChI:
InChI=1S/C7H9BrN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,9-10H2,1H3
InChI Key:
BYYYESJDKPVYGB-UHFFFAOYSA-N
SMILES:
Brc1cc(N)c(cc1C)N
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.995g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.067g/mol
Monoisotopic Mass:
199.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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